Fast electrostatic halftoning

Electrostatic halftoning is a high-quality method for stippling, dithering, and sampling, but it suffers from a high runtime. This made the technique difficult to use for most real-world applications. A recently proposed minimisation scheme based on the non-equispaced fast Fourier transform (NFFT) lowers the complexity in the particle number M from $\mathcal{O}(M^2)$ to $\mathcal{O}(M \log M).$ However, the NFFT is hard to parallelise, and the runtime on modern CPUs lies still in the orders of an hour for about 50,000 particles, to a day for 1 million particles. Our contributions to remedy this problem are threefold: we design the first GPU-based NFFT algorithm without special structural assumptions on the positions of nodes, we introduce a novel nearest-neighbour identification scheme for continuous point distributions, and we optimise the whole algorithm for n-body problems such as electrostatic halftoning. For 1 million particles, this new algorithm runs 50 times faster than the most efficient technique on the CPU, and even yields a speedup of 7,000 over the original algorithm.     

Betontechnologie und Dauerhaftigkeit von glasfaserbewehrten Bauteilen

Concrete Technology and Durability of Glass Fibre Reinforced Structures The durability of glass fibre reinforced concrete structures is significantly determined by matrix composition, the type of glass and its surface quality including necessary coatings. In the paper an experimental overview is given concerning special material influences and their interaction in the composite.     

Phenazine and meso-1, 2-Diphenyl-1,2-ethanediol – Partners in Photochromic Cocrystals

A hydrogen-bonded network in a 1:1 cocrystal of phenazine and meso-1,2-diphenyl-1,2-ethandiol places phenazine and diol in such a way that a thermally reversible photochromism is produced. The structure of the cocrystal is determined by X-ray crystallography. Thermally reversible changes in the UV/Vis and IR spectrum on irradiation, in combination with the generation of paramagnetism (ESR) lead to the interpretation that a light induced electron transfer between two phenazine molecules is followed by a double proton transfer to the nitrogen atoms of the radical anion of phenazine.     

Synthesis, conformation and biological evaluation of the enantiomers of 3-fluoro-gamma-aminobutyric acid ((R)- and (S)-3F-GABA): an analogue of the neurotransmitter GABA

Gamma-aminobutyric acid or GABA (1) is one of the major inhibitory amino acid neurotransmitters of the central nervous system. This article describes the first synthesis of both the (R)- and (S)- enantiomers of 3-fluoro-GABA (2, 3F-GABA). DFT calculations were carried out in a continuum solvent model (PCM-B3LYP) to estimate the preferred conformations of 3F-GABA in aqueous solution. NMR coupling constants were calculated for each conformer and were then used to simulate the NMR spectra to evaluate the solution conformation of 3F-GABA. A preliminary evaluation of the 3F-GABA enantiomers shows that they act similarly as agonists of cloned GABA(A) receptors; however, they behave quite differently in a whole animal (Xenopus laevis tadpole model).     

Aziridide-based inhibitors of cathepsin L: synthesis, inhibition activity, and docking studies

A comprehensive screening of N-acylated aziridine (aziridide) based cysteine protease inhibitors containing either Boc-Leu-Caa (Caa=cyclic amino acid), Boc-Gly-Caa, or Boc-Phe-Ala attached to the aziridine nitrogen atom revealed Boc-(S)-Leu-(S)-Azy-(S,S)-Azi(OBn)(2) (18 a) as a highly potent cathepsin L (CL) inhibitor (K(i)=13 nM) (Azy=aziridine-2-carboxylate, Azi=aziridine-2,3-dicarboxylate). Docking studies, which also accounted for the unusual bonding situations (the flexibility and hybridization of the aziridides) predict that the inhibitor adopts a Y shape and spans across the entire active site cleft, binding into both the nonprimed and primed sites of CL.     

In Vivo Performance and Structural Relaxation of Biodegradable Bone Implants Made from Mg?Zn?Ca Bulk Metallic Glasses

A study of Mg‐based bulk metallic glasses (BMGs) as biodegradable bone implants is presented. The implantation site can affect performance, so the BMGs were evaluated in vivo in rat femurs using µ‐CT scans at various times for more than 90 days. Estimates of H₂ evolution correlate well with previous in vitro studies and bone–implant contact is similar to that for Ti pins. One potential drawback of Mg‐based BMGs in this application is embrittlement due to structural relaxation. Here, relaxation at 20 and 37 °C is examined, and an increase in the characteristic relaxation time, from 10 to 30 days at 20 °C, is observed as Zn increases from 29 to 32 at.%, correlating with dramatically reduced hydrogen evolution.